diethyl 2-(4-tert-butyl-7-oxidanylidene-azepan-2-yl)propanedioate

Systemtic Name: diethyl 2-(4-tert-butyl-7-oxidanylidene-azepan-2-yl)propanedioate Openeye Name: diethyl 2-(4-tert-butyl-7-oxo-azepan-2-yl)propanedioate CAS Name: 2-(4-tert-butyl-7-oxo-2-azepanyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-tert-butyl-7-oxoazepan-2-yl)propanedioate Traditional Name: 2-(4-tert-butyl-7-keto-azepan-2-yl)malonic acid diethyl ester Formula: C17H29NO5 MolecularWeight: 327.41586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CC(CCC(=O)N1)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1CC(CCC(=O)N1)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C17H29NO5/c1-6-22-15(20)14(16(21)23-7-2)12-10-11(17(3,4)5)8-9-13(19)18-12/h11-12,14H,6-10H2,1-5H3,(H,18,19)